Drug Discovery Lab
40 famous drugs — from Aspirin to Ozempic — with live SMILES editing, toxicity reports, disease browser, and drug repurposing. All in one browser tab.
Featured drugs
What's inside
40 Famous Drugs
From Aspirin to Ozempic. Statins, kinase inhibitors, GLP-1 agonists, antibiotics, antivirals, SSRIs, plus historic drugs like LSD, Thalidomide, and Viagra.
Live SMILES Editor
Paste any SMILES and watch molecular weight, LogP, TPSA, QED, and Lipinski check update instantly. Or edit the SMILES of any drug in the library to design a variant.
Toxicity Report Card
Heuristic panel covering hERG, AMES, DILI, skin sensitization, and carcinogenicity risk — color-coded with rationale, not a black box.
Disease → Drugs Browser
Browse 20 diseases across oncology, cardiovascular, infectious disease, and more. Each disease links to every drug in the library that targets it.
Drug Repurposing Explorer
Pick a drug and find alternate targets. Sildenafil was for angina, Minoxidil for hypertension, Thalidomide was a sedative — old drugs find new lives.
Full Discovery Pipelines
The existing compound-vs-target evaluation studio and lead optimization workflow are still here at /evaluate/ and /optimize/ — now cross-linked from every drug workspace.
FAQ
Is this a medical tool?›
No. Drug Discovery Lab is an educational and research playground. It is not a prescribing tool. We do not provide medical advice, dosing, or clinical recommendations.
Are the SMILES strings accurate?›
Yes. SMILES come from PubChem, DrugBank, and ChEMBL. Molecular properties are cached from authoritative databases at seed time; live edits use a lightweight SMILES heuristic (for authoritative values use the full RDKit worker via the main /v1/chemistry/properties endpoint).
What does the toxicity report card do?›
It runs heuristic predictions across five endpoints (hERG, AMES, DILI, skin sensitization, carcinogenicity) using structural flags like aromatic nitrogens, nitro groups, and high lipophilicity. Color-coded risk badges with rationale — but still heuristic, not a substitute for experimental ADMET screening.
How does drug repurposing work here?›
Each famous drug with known repurposing stories (sildenafil, minoxidil, thalidomide, metformin, aspirin) has pre-baked repurposing suggestions from literature. Other drugs get heuristic suggestions based on their class and target. Use it as a brainstorming tool, not a validated pipeline.
Why include LSD, THC, and Psilocybin?›
Because their chemistry and history are scientifically interesting. LSD was invented by Albert Hofmann at Sandoz. Psilocybin has FDA Breakthrough Therapy designation for depression. They're shown with strong research-only disclaimers — no dosing, no medical guidance, no sourcing.
Ready to explore famous drugs?
Open the lab and pick a drug. Or explore all 40 in the library.